1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile

C18H25N3 — CID 64906498

IUPAC1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile
SMILESCC(CN1CCCC1)NC1CC(C#N)(c2ccccc2)C1
InChIInChI=1S/C18H25N3/c1-15(13-21-9-5-6-10-21)20-17-11-18(12-17,14-19)16-7-3-2-4-8-16/h2-4,7-8,15,17,20H,5-6,9-13H2,1H3
InChIKeyOOQUEXYORLXSJE-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.68
Rot. Bonds5

About 1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile

1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile (PubChem CID 64906498) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile
PubChem CID64906498
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile
SMILESCC(CN1CCCC1)NC1CC(C#N)(c2ccccc2)C1
InChIInChI=1S/C18H25N3/c1-15(13-21-9-5-6-10-21)20-17-11-18(12-17,14-19)16-7-3-2-4-8-16/h2-4,7-8,15,17,20H,5-6,9-13H2,1H3
InChIKeyOOQUEXYORLXSJE-UHFFFAOYSA-N
XLogP2.68
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile?
The IUPAC name of 1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile (CID 64906498) is 1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile is CC(CN1CCCC1)NC1CC(C#N)(c2ccccc2)C1.
What is the InChIKey of 1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile?
The InChIKey is OOQUEXYORLXSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-15(13-21-9-5-6-10-21)20-17-11-18(12-17,14-19)16-7-3-2-4-8-16/h2-4,7-8,15,17,20H,5-6,9-13H2,1H3.
What are the key properties of 1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile?
1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile has a molecular weight of 283.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclobutane-1-carbonitrile is sourced from PubChem (CID 64906498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).